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Journal Abstract Search

255 related items for PubMed ID: 11908080

  • 1. Ab initio and DFT studies on van der Waals trimers: the OCS.(CO2)2 complexes.
    Valdés H, Sordo JA.
    J Comput Chem; 2002 Mar; 23(4):444-55. PubMed ID: 11908080
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  • 3. The structure and binding energies of the van der Waals complexes of Ar and N2 with phenol and its cation, studied by high level ab initio and density functional theory calculations.
    Vincent MA, Hillier IH, Morgado CA, Burton NA, Shan X.
    J Chem Phys; 2008 Jan 28; 128(4):044313. PubMed ID: 18247955
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  • 4. Accurate intermolecular ground state potential of the Ne-N2 van der Waals complex.
    Munteanu CR, López Cacheiro J, Fernández B.
    J Chem Phys; 2004 May 15; 120(19):9104-12. PubMed ID: 15267846
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  • 9. Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Møller-Plesset perturbation theory, and density functional theory.
    Pai CC, Li AH, Chao SD.
    J Phys Chem A; 2007 Nov 22; 111(46):11922-9. PubMed ID: 17963367
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  • 10. Conformational stability of cyclobutanol from temperature dependent infrared spectra of xenon solutions, r0 structural parameters, ab initio calculations and vibrational assignment.
    Durig JR, Ganguly A, El Defrawy AM, Gounev TK, Guirgis GA.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Dec 15; 71(4):1379-89. PubMed ID: 18602334
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  • 13. A theoretical study of He2ICl van der Waals cluster.
    Valdés A, Prosmiti R, Villarreal P, Delgado-Barrio G.
    J Chem Phys; 2006 Jul 07; 125(1):014313. PubMed ID: 16863304
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  • 14. Hydrogen peroxide clusters: the role of open book motif in cage and helical structures.
    Elango M, Parthasarathi R, Subramanian V, Ramachandran CN, Sathyamurthy N.
    J Phys Chem A; 2006 May 18; 110(19):6294-300. PubMed ID: 16686465
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  • 15. Estimated MP2 and CCSD(T) interaction energies of n-alkane dimers at the basis set limit: comparison of the methods of Helgaker et al. and Feller.
    Tsuzuki S, Honda K, Uchimaru T, Mikami M.
    J Chem Phys; 2006 Mar 21; 124(11):114304. PubMed ID: 16555885
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  • 19. High-level ab initio calculations for the four low-lying families of minima of (H2O)20. I. Estimates of MP2/CBS binding energies and comparison with empirical potentials.
    Fanourgakis GS, Aprà E, Xantheas SS.
    J Chem Phys; 2004 Aug 08; 121(6):2655-63. PubMed ID: 15281866
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